This report was created using the R package staRdom version 1.1.14, (Matthias Pucher [aut, cre], Daniel Graeber [aut, ctb], Stefan Preiner [ctb], Renata Pinto [ctb], 2020). The used template EEM_simple_analysis.Rmd was taken from staRdom 0.1.12.

1 Parameter specification

1.1 Input parameters

#############################
#### Define data sources ####
#############################
# Please avoid "-" (minus) and space in file and column names and numbers at the beginning of file and column names!

#### Directory containing EEM data ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Set the directory with your sample files. Please see eem_read() help for details on file formats.
# Sub folders are read in and are considered different sample sets.
# Import is done with eem.read() (package eemR), please see details there.
# The template refers to data coming with the package. Please use your data
# by setting the path to your files!
sample_dir = "../data/EEMs/" # e.g. sample_dir = "C:/some_folder/input/fluor/", system.file() accesses the example data coming with the package!
# Set the used instrument (with hyphens!):
# Cary Eclipse: "cary" 
# Aqualog: "aqualog"
# Shimadzu: "shimadzu"
# Fluoromax-4: "fluoromax4"
# And furthermore, without hyphens:
# generic csv, excitation column-wise: eem_csv
# generic csv, emission column-wise: eem_csv2
# Hitachi F-7000: eem_hitachi
fluorometer = "aqualog"

#### Absorbance data ####
#~~~~~~~~~~~~~~~~~~~~~~~#
# Absorbance data is read from *.TXT or *.CSV files.
# Either a directory containing one or more files can be named or a single file containing all samples.
# Absorbance data is used for inner-filter-effect correction and calculation of the slope parameters.
# Those steps can be skipped but keep in mind it is important for a profound analysis!
#
# path of adsorbance data as directory or single file, sub folders are not read:
absorbance_dir = "../data/ABS_10cm/" # e.g. absorbance_dir = "C:/some_folder/input/absorbance/", system.file() accesses the exmaple data coming with the package!

# Path length of absorbance measurement in cm that was used in absorbance measurement.
# If it is set to "meta" data from the metadata table is used (details see below).
absorbance_path = 10 # e.g. absorbance_path = 5

#### Meta data ####
#~~~~~~~~~~~~~~~~~#
# Adding a table with meta data is OPTIONAL!
# The table can contain dilution factors, path lengths of
# the photometer and raman areas and is intended
# for cases where different values should be used for different
# samples. Each column can be used optionally.

# read table with metadata as *.TXT or *.CSV
# either a path or FALSE if no metadata file is used.
metadata = FALSE #system.file("extdata/metatable_dreem.csv", package = "staRdom") # e.g. metadata = "C:/some_folder/input/metatable.csv", system.file() accesses the exmaple data coming with the package!

#### Meta data: names of columns ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# column with sample names
col_samples = "sample"

# if you want to use dilution factors (e.g. 10 if 1 part sample and 9 parts solvent) from the meta data table, state the name 
# of the column containing the dilution data and set dilution = "meta" (below)
col_dilution = "dilution"

# if you want to use the cuvette length (in cm) for the absorbance from the meta data table,
# state the name of the column containing the cuvette lengths and set absorbance_path = "meta" (below)
col_cuv_len = "cuv_len"

# if you want to use the raman area (under the curve) data from the meta data table, state the name 
# of the column containing the raman areas and set raman_normalisation = "meta" (below)
col_raman_area = "raman"

#### Spectral correction of EEMs ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Some instruments, but not all need a spectral correction to compensate
# for specific deviations in the measurements. A vector for emission and
# excitation is used each. EEMs are cut to match the wavelength range of
# the vectors if used. Please provide paths to csv tables containing
# wavelengths in the first column and correction values in the second. If
# you do not want spectral correction to be done, setting these two input
# files it not necessary. 
# Emission correction vector
Emcor <- FALSE # e.g. "C:\folder\emcor.csv", FALSE
# Excitation correction vector
Excor <- FALSE

1.2 Output parameters

###############################
#### Define desired output ####
###############################

#### Table output ####
#~~~~~~~~~~~~~~~~~~~~#
# Write a table with peaks and slope parameters.
# Written as xls or, in case of missing java environment or the package xlsx as csv.
output_xls = TRUE # e.g. TRUE

# In case of a csv export you can define the separator and the decimal point here.
out_sep_dec = c("\t", ".") # e.g. out_sep_dec = c("\t",".")

#### Plot settings PNG ####
#~~~~~~~~~~~~~~~~~~~~~~~~~#
# State whether you want pngs of the single EEM spectra written in your output directory
output_single_png = FALSE # e.g. TRUE

## State whether you want pngs of multiple EEM spectra written in your output directory
output_overview_png = FALSE # e.g. TRUE

## number of EEM spectra plottet in each overview image
overview_number = 6 # e.g. 6

# The scaling of the different sample plots can be chosen.
# Either all samples are coloured according to the range of the
# complete sample set (TRUE) or each plot is scaled separately (FALSE).
scale_col = FALSE # e.g. TRUE

# Add contours to yout plots?
contour = FALSE

#### Plot settings report ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# This block defines which plots are included in the report.
#
# Add plots with several EEM samples per plot. 
# The number per plot is defined by overview_number above.
overview = TRUE # e.g. TRUE

# State whether you want plots from single EEM spectra in the report.
single_plots = TRUE # e.g. TRUE

#### Save data for further (R) analysis ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# File name where data is stored in RData format in the output directory.
# Set to FALSE if you dont want your eem data saved.
# Date, time and file extension is added automatically so you do not overwrite previous saved data.
data_file = "eem_data" # e.g. "eem_data"" or FALSE

# Desired name for the variable containing the eem data.
eem_name = "eem_list"

1.3 Correction parameters

#########################
#### Data correction ####
#########################
#
#### Normalising absorbance data to baseline ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Absorbance data can be corrected by subtracting a baseline value from each sample.
# In high wavelength ranges (default 680-700 nm), the absorbance is assumed to be 0.
# The average value of that range (or any other range) is subtracted from the whole spectrum.
# abs_norm can be set TRUE to use the default range, you can specify the desired range by a vector of length 2 and you can set it FALSE to skip this correction.
abs_norm = TRUE # e.g. TRUE, c(700,800)

#### Correction of diluted samples ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Set a dilution factor if your sample was diluted.
# All samples are multiplied with this factor.
# Please use a meta table (above) if your dilutions are differing
# 1 for no dilution, 10 for dilution 1:10 (1 part sample and 9
# parts ultrapure water), "meta" for data from meta table
dilution = 1 # e.g. 1

# In case of diluted samples, two absorbance measurements of the
# same sample in different dilutions might be present. If this is
# the case, EEMs are renamed to the undiluted sample, absorbance
# data might be multiplied by the dilution factor if it is only
# presentas diluted sample. This can be done automatically. In the
# final protocol a table shows, what has been done to the samples.
# Please check this table and see, if the output is what you
# wanted it to be!
dil_sample_name_correction = FALSE

#### Spectral correction of EEMs ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Some instruments, but not all need a spectral correction to compensate
# for specific deviations in the measurements. Please sepecify, if you want
# spectral correection to be done.
spectral_cor = FALSE # e.g. TRUE, set to FALSE, if your instrument already provided EEMs with spectral correction
  
#### Cut data to certain range ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Set a vector with range of wavelengths to be plotted and saved.
# Peak picking is done before range reduction.
# Emission wavelength:
em_range = c(0, Inf) # e.g. c(300,500), c(0,Inf) to use everything

# Excitation wavelength:
ex_range = c(0, Inf) # e.g. c(300,500), c(0,Inf) to use everything

# Cut all samples to fit largest range available in all samples
cut_range_to_smallest = FALSE # e.g. FALSE

#### Blank correction ####
#~~~~~~~~~~~~~~~~~~~~~~~~#
# A blank sample is subtracted from each sample. Blank samples have to be
# in the same (sub)folder as the according EEM samples. So different blanks are used
# for different subsets. The file names of the blanks have to contain nano, 
# miliq, milliq, mq or blank (cases are ignored). Other samples must not 
# contain these words in their names respectively!
blank_correction = TRUE # e.g. FALSE

#### Inner filter effect correction ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Inner filter effects are corrected. Absorbance data is needed. File or column designations
# of the absorbance data have to resamble file names of the EEM data.
ife_correction = TRUE # e.g. FALSE

#### Remove scattering and interpolate missing data ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Scattering is removed from the EEM spectra.
remove_scatter <- c(TRUE, TRUE, TRUE, TRUE) # logical values, ordered by raman1,raman2,rayleigh1,rayleigh2

# Set the width of removed scatter slot (usually 10 to 20).
# If you can still see traces of scattering after interpolation,
# this value should be increased. You can specify a vector containing
# separate widths for each scatter c(15,16,16,14), ordered by raman1,raman2,rayleigh1,rayleigh2.
remove_scatter_width = c(15, 15, 35, 20) # e.g. 15 or c(15,15,15,15)

# state whether removed scattering should be interpolated
interpolation <- TRUE # e.g. TRUE

#### Raman normalisation ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# State whether a Raman normalisation should be performed
# Either "blank" if a blank is present in each (sub)folder of the EEM data.
# Blank samples have to be in the same (sub)folder as the EEM samples. So 
# different blanks are used for different subsets. The file names of the 
# blanks have to contain nano, miliq, milliq, mq or blank (cases are ignored).
# Other samples must not contain these words in their names respectively!
# Normalisation is then calculated with this blank, the raman area as a number
# or "meta" if the raman areas should be taken from the meta data table.
raman_normalisation = "blank" # e.g. "blank", FALSE, 160, "meta"

#### Smooth data for peak picking ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Moving window size in nm for smoothing data along excitation wavelengths.
# Data must be interpolated if you want to use smoothing.
# This is used for peak picking but not saved.
smooth = 4 # e.g. FALSE, 4
## 
## EEM samples missing absorbance data:
## blank_20190325 in  ../data/EEMs
## GL16_3 in  ../data/EEMs
## GL19_3 in  ../data/EEMs
## GL20_1 in  ../data/EEMs
## GL20_2 in  ../data/EEMs
## GL20_3 in  ../data/EEMs
## GL21_1 in  ../data/EEMs
## GL21_2 in  ../data/EEMs
## GL21_3 in  ../data/EEMs
## GL3_2 in  ../data/EEMs
## GL3_3 in  ../data/EEMs
## 
## Absorbance data with missing EEM samples:
## MQ in  
## This can happen if you diluted for EEM and have additional undiluted absorbance samples.
## No metadata was checked. Table was missing.

2 Sample overview

##    sample ex_min ex_max  em_min  em_max is_blank_corrected is_scatter_corrected is_ife_corrected
## 1   GL1_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 2   GL1_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 3   GL1_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 4  GL10_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 5  GL10_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 6  GL10_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 7  GL11_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 8  GL11_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 9  GL11_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 10 GL12_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 11 GL12_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 12 GL12_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 13 GL13_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 14 GL13_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 15 GL13_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 16 GL14_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 17 GL14_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 18 GL14_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 19 GL15_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 20 GL15_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 21 GL15_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 22 GL16_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 23 GL16_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 24 GL16_3    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 25 GL17_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 26 GL17_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 27 GL17_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 28 GL18_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 29 GL18_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 30 GL18_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 31 GL19_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 32 GL19_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 33 GL19_3    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 34  GL2_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 35  GL2_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 36  GL2_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 37 GL20_1    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 38 GL20_2    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 39 GL20_3    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 40 GL21_1    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 41 GL21_2    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 42 GL21_3    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 43  GL3_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 44  GL3_2    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 45  GL3_3    240    500 210.574 618.809               TRUE                 TRUE            FALSE
## 46  GL5_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 47  GL5_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 48  GL5_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 49  GL6_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 50  GL6_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 51  GL6_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 52  GL7_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 53  GL7_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 54  GL7_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 55  GL8_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 56  GL8_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 57  GL8_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 58  GL9_1    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 59  GL9_2    240    500 210.574 618.809               TRUE                 TRUE             TRUE
## 60  GL9_3    240    500 210.574 618.809               TRUE                 TRUE             TRUE
##    is_raman_normalized
## 1                 TRUE
## 2                 TRUE
## 3                 TRUE
## 4                 TRUE
## 5                 TRUE
## 6                 TRUE
## 7                 TRUE
## 8                 TRUE
## 9                 TRUE
## 10                TRUE
## 11                TRUE
## 12                TRUE
## 13                TRUE
## 14                TRUE
## 15                TRUE
## 16                TRUE
## 17                TRUE
## 18                TRUE
## 19                TRUE
## 20                TRUE
## 21                TRUE
## 22                TRUE
## 23                TRUE
## 24                TRUE
## 25                TRUE
## 26                TRUE
## 27                TRUE
## 28                TRUE
## 29                TRUE
## 30                TRUE
## 31                TRUE
## 32                TRUE
## 33                TRUE
## 34                TRUE
## 35                TRUE
## 36                TRUE
## 37                TRUE
## 38                TRUE
## 39                TRUE
## 40                TRUE
## 41                TRUE
## 42                TRUE
## 43                TRUE
## 44                TRUE
## 45                TRUE
## 46                TRUE
## 47                TRUE
## 48                TRUE
## 49                TRUE
## 50                TRUE
## 51                TRUE
## 52                TRUE
## 53                TRUE
## 54                TRUE
## 55                TRUE
## 56                TRUE
## 57                TRUE
## 58                TRUE
## 59                TRUE
## 60                TRUE
sample ex_min ex_max em_min em_max is_blank_corrected is_scatter_corrected is_ife_corrected is_raman_normalized
GL1_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL1_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL1_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL10_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL10_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL10_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL11_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL11_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL11_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL12_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL12_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL12_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL13_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL13_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL13_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL14_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL14_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL14_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL15_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL15_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL15_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL16_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL16_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL16_3 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL17_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL17_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL17_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL18_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL18_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL18_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL19_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL19_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL19_3 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL2_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL2_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL2_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL20_1 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL20_2 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL20_3 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL21_1 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL21_2 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL21_3 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL3_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL3_2 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL3_3 240 500 210.574 618.809 TRUE TRUE FALSE TRUE
GL5_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL5_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL5_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL6_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL6_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL6_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL7_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL7_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL7_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL8_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL8_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL8_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL9_1 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL9_2 240 500 210.574 618.809 TRUE TRUE TRUE TRUE
GL9_3 240 500 210.574 618.809 TRUE TRUE TRUE TRUE

3 Results from peak picking

sample bix b t a m c fi hix a254 a300 E2_E3 E4_E6 S275_295 S350_400 S300_700 SR p_S275_295 p_S350_400 p_S300_700
GL1_1 2 0.028 0.034 0.017 0.0085 0.0045 1.8 0.21 4.5 2.5 4.6 2.7 0.014 0.032 0.14 0.43 3.4e-40 1e-50 0.9
GL1_2 1.7 0.039 0.034 0.016 0.0086 0.0044 1.5 0.23 5.8 3.3 4.1 1.2 0.013 0.024 0.12 0.55 2e-43 3.4e-58 0.89
GL1_3 1.7 0.027 0.034 0.013 0.0072 0.004 1.8 0.21 3.6 1.9 5.7 5.1 0.015 0.052 0.15 0.3 3.6e-43 2.2e-40 0.88
GL10_1 1.4 0.0046 0.0078 0.0087 0.0029 0.0017 1 0.29 0.83 0.5 3.4 42 0.012 0.011 0.012 1.2 1.3e-40 6.9e-101 0
GL10_2 1.2 0.0047 0.0083 0.0058 0.0031 0.0017 0.75 0.31 0.98 0.59 3.3 41 0.012 0.01 0.012 1.1 6.8e-38 1.2e-98 0
GL10_3 1 0.006 0.0053 0.0063 0.0037 0.0019 0.61 0.26 1.2 0.77 3.2 28 0.012 0.011 0.011 1.1 1.2e-39 3.1e-100 0
GL11_1 1 0.0017 0.002 0.0076 0.0037 0.0029 0.87 0.48 0.73 0.45 3.3 23 0.012 0.011 0.012 1.1 4.2e-42 4.5e-101 0
GL11_2 0.93 0.0053 0.0095 0.0087 0.0045 0.0032 1 0.37 0.72 0.45 3.2 66 0.012 0.011 0.012 1.2 1.9e-35 2e-94 0
GL11_3 0.73 0.0071 0.0048 0.0091 0.0037 0.0029 0.72 0.42 0.8 0.5 3.2 40 0.012 0.011 0.012 1 9.8e-35 1.1e-103 0
GL12_1 0.83 0.00042 0.0039 0.0086 0.0045 0.0035 0.89 0.69 0.55 0.32 3.7 143 0.013 0.012 0.013 1.1 1.3e-34 2.5e-95 0
GL12_2 0.9 0.00051 0.0041 0.0093 0.0048 0.0032 0.82 0.87 0.57 0.34 3.6 53 0.013 0.011 0.013 1.1 1.1e-34 1.6e-84 0
GL12_3 0.79 0.0025 0.0039 0.0099 0.0047 0.0037 0.73 0.62 0.64 0.39 3.6 224 0.012 0.012 0.013 1.1 1.1e-32 2.3e-87 0
GL13_1 2.8 0.014 0.046 0.026 0.0096 0.0024 0.67 0.23 1.1 0.73 2.8 9.1 0.01 0.0086 0.0088 1.2 5.2e-39 6.5e-102 0
GL13_2 0.71 0.0016 0.0025 0.0062 0.0025 0.0018 0.19 0.4 0.65 0.41 3 33 0.011 0.01 0.011 1 1.4e-33 1.4e-90 0
GL13_3 2.9 0.031 0.28 0.13 0.11 0.0038 1.5 0.23 0.68 0.43 3 34 0.012 0.0096 0.011 1.2 2.9e-36 7.7e-89 0
GL14_1 0.48 0.0092 0.0064 0.01 0.0056 0.0054 0.99 0.43 0.73 0.41 4.2 44 0.013 0.013 0.015 1 1.2e-31 8e-103 0
GL14_2 0.47 7e-05 0.0033 0.0095 0.0051 0.0051 0.92 0.83 0.41 0.24 4.3 35 0.014 0.015 0.018 0.89 3.6e-33 5.1e-89 0
GL14_3 0.72 0.002 0.0044 0.011 0.0057 0.0057 0.84 0.65 0.46 0.26 4.6 12 0.014 0.015 0.016 0.93 2.8e-32 4.1e-68 0
GL15_1 0.29 9.4e-05 0.0013 0.0073 0.0028 0.0025 0.51 0.58 0.58 0.35 3.8 96 0.012 0.012 0.014 1 9.2e-35 2.5e-92 0
GL15_2 1.4 -8.1e-20 -1.1e-19 0.0068 0.0027 0.0024 0.46 0.58 0.51 0.31 3.7 102 0.012 0.014 0.014 0.88 5.7e-33 1.8e-73 0
GL15_3 0.55 0.00013 0.0017 0.0063 0.0024 0.0027 0.57 0.57 0.57 0.34 3.5 608 0.013 0.012 0.013 1 4.3e-34 4.3e-74 0
GL16_1 0.65 0.0018 0.0053 0.0083 0.0043 0.0035 0.72 0.59 0.56 0.33 3.5 34 0.013 0.01 0.011 1.3 4.9e-36 1.3e-62 0
GL16_2 0.81 0.0034 0.0067 0.01 0.0041 0.0039 0.79 0.6 1 0.69 1.9 16 0.011 0.014 0.014 0.78 9.6e-35 4e-57 0
GL16_3 0.77 0.0057 0.01 0.011 0.0047 0.0038 0.68 0.5 NA NA NA NA NA NA NA NA NA NA NA
GL17_1 2.1 0.012 0.012 0.0079 0.0045 0.0028 1.1 0.24 2.3 1.5 2.9 22 0.01 0.0097 0.011 1 3.3e-43 7.2e-97 0
GL17_2 1.4 0.025 0.038 0.015 0.0075 0.005 1.4 0.26 2.2 1.3 3.2 19 0.012 0.01 0.011 1.2 6e-41 9.6e-107 0
GL17_3 1.4 0.021 0.019 0.013 0.0064 0.0037 1.3 0.21 3.1 2 3 36 0.01 0.0097 0.011 1.1 3.7e-44 8.9e-99 0
GL18_1 2.1 -4.1e-20 0.0014 0.0041 0.0014 0.00062 -1.2e-11 0.65 0.17 0.096 4.3 -10 0.015 0.013 0.015 1.2 3.2e-31 4.1e-61 0
GL18_2 2.4 0.00046 0.0069 0.0041 0.00091 0.00078 1.1e-17 0.41 0.18 0.1 4.5 -9.4 0.014 0.013 0.015 1.1 4.9e-31 1.7e-67 0
GL18_3 2.5 0.0064 0.017 0.0085 0.0023 7e-04 Inf 0.28 0.25 0.14 4.1 -15 0.016 0.012 0.015 1.3 1.7e-33 3.1e-74 0
GL19_1 0.66 0.0016 0.0028 0.0038 8e-04 0.00057 0 0.27 0.22 0.12 4 -12 0.016 0.016 0.015 1 1.8e-32 3.9e-56 0
GL19_2 0.8 0.0026 0.0036 0.0069 0.0021 0.00062 0 0.32 0.2 -0.25 -0.38 0.8 0 0 0.0022 NaN NaN 1 4.2e-238
GL19_3 11 0.0065 0.0056 0.0055 0.0018 0.001 2e-15 0.29 NA NA NA NA NA NA NA NA NA NA NA
GL2_1 2.9 0.019 0.018 0.012 0.0059 0.0025 0.96 0.19 3.8 2.2 4.1 3.3 0.012 0.032 0.13 0.38 1.6e-42 6.9e-49 0.88
GL2_2 3.1 0.012 0.014 0.0072 0.0036 0.0017 0.98 0.2 1.6 0.74 12 5.5 0.018 0.21 0.18 0.086 8.3e-41 7.7e-05 0.84
GL2_3 2.5 0.014 0.017 0.0089 0.0037 0.0018 0.59 0.2 2 1 8.3 5.4 0.016 0.12 0.18 0.13 8.7e-42 6.3e-21 0.87
GL20_1 0.61 8.1e-20 0.00026 0.0043 0.0017 0.0014 2.3e-17 0.59 NA NA NA NA NA NA NA NA NA NA NA
GL20_2 1.3 -1.1e-19 -1.1e-19 0.0053 0.0014 0.0011 -2.6e-11 0.67 NA NA NA NA NA NA NA NA NA NA NA
GL20_3 0.31 8.5e-20 0.00012 0.0032 0.0011 0.00089 1.4 0.69 NA NA NA NA NA NA NA NA NA NA NA
GL21_1 0.38 -4.4e-20 0.00057 0.004 0.0013 0.00099 0.081 0.5 NA NA NA NA NA NA NA NA NA NA NA
GL21_2 0.91 -2e-20 0.00035 0.0068 0.0017 0.0013 0.059 0.5 NA NA NA NA NA NA NA NA NA NA NA
GL21_3 2.1 0.0015 0.00043 0.0047 0.0017 0.001 1.5e-13 0.53 NA NA NA NA NA NA NA NA NA NA NA
GL3_1 2.1 0.0024 0.0013 0.0079 0.0031 0.0017 0.6 0.42 5.8 4.6 1.8 12 0.0053 0.0056 0.007 0.94 1.4e-41 4e-119 0
GL3_2 1.7 0.04 0.092 0.017 0.0099 0.0043 1.3 0.16 NA NA NA NA NA NA NA NA NA NA NA
GL3_3 0.75 0.0042 0.0082 0.011 0.0027 0.0017 0.083 0.33 NA NA NA NA NA NA NA NA NA NA NA
GL5_1 1.1 0.0037 0.0049 0.012 0.0052 0.0052 1 0.58 0.77 0.48 3.3 32 0.012 0.013 0.012 0.91 5.1e-34 1e-89 0
GL5_2 0.58 6.8e-20 0.001 0.0084 0.0036 0.0039 1.1 0.81 0.33 0.23 2.3 12 0.01 0.028 0.016 0.36 9.8e-28 1.5e-50 0
GL5_3 0.72 3.2e-20 0.0025 0.008 0.0046 0.004 1.4 0.78 0.29 0.21 2 -29 0.01 0.031 0.018 0.33 6.2e-27 8.2e-47 0
GL6_1 1.3 0.0072 0.0094 0.008 0.0042 0.003 0.77 0.32 1.8 1.2 2.9 15 0.011 0.013 0.011 0.79 1.2e-37 1.4e-72 0
GL6_2 0.99 0.0039 0.0034 0.0099 0.0036 0.0027 0.96 0.48 1.5 0.95 3 16 0.011 0.015 0.011 0.74 3.5e-41 4e-72 0
GL6_3 1.1 0.003 0.0026 0.0074 0.0028 0.0027 0.93 0.39 1.4 1.2 1.2 6.5 0.0044 0.035 0.016 0.12 8e-24 1.3e-40 0
GL7_1 2.4 0.043 0.046 0.019 0.01 0.004 1.5 0.17 7.2 4.1 4.4 1.2 0.013 0.023 0.12 0.57 2.9e-42 1.6e-60 0.87
GL7_2 2.1 0.027 0.023 0.014 0.0083 0.0035 1.7 0.25 7.9 4.7 4.1 -0.61 0.012 0.02 0.11 0.61 1.3e-42 3e-66 0.91
GL7_3 2.4 0.024 0.017 0.012 0.0065 0.003 3.7 0.23 5.3 3 4.8 3 0.013 0.031 0.13 0.43 4.9e-41 7.2e-52 0.89
GL8_1 2 0.015 0.0098 0.0074 0.0045 0.0021 0.7 0.19 3.7 2 5 3.6 0.013 0.04 0.15 0.34 3.5e-42 1.2e-43 0.91
GL8_2 2.5 0.021 0.011 0.011 0.0068 0.0027 7 0.24 6.3 3.9 3.4 -2.6 0.011 0.018 0.11 0.59 2.5e-43 1.3e-63 0.93
GL8_3 1.9 0.022 0.011 0.01 0.0059 0.0029 3.3 0.2 6.6 4.1 3.5 -2.9 0.011 0.018 0.1 0.6 3.9e-44 4.3e-64 0.93
GL9_1 1.6 0.027 0.02 0.014 0.0062 0.0035 1.4 0.21 6.5 4 3.5 -2.5 0.011 0.018 0.11 0.6 5.2e-43 8.4e-65 0.92
GL9_2 1.7 0.029 0.024 0.012 0.0066 0.0032 0.93 0.23 4 2.2 5.1 3.7 0.014 0.039 0.14 0.35 2.5e-40 4.3e-46 0.91
GL9_3 2 0.032 0.034 0.013 0.0077 0.0038 1.3 0.18 4.7 2.7 4.7 3 0.014 0.032 0.13 0.42 1e-40 9.9e-50 0.9

4 Plots of EEM spectra